0 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(N)CC#N HY-W018936 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|2,0,1]=4 56 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,0,0|1,0,0]=2 57 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,0,0|0,0,2]=3 59 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|1,0,0]=2 66 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|1,0,0]=2 68 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,0|2,0,0]=3 71 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,0|2,0,0]=3 72 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|0,0,2]=3 77 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|1,0,1]=3 81 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,0,1,0,0|1,0,0]=2 85 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,1,0|1,0,2]=4 86 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,1,0|2,0,1]=4 87 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,1,0|2,0,1]=4 88 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,1,0|1,0,0]=2 89 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,1,0|2,0,1]=4 90 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,1,0|2,0,0]=3 91 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,1,0|2,0,0]=3 92 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,1,0|2,0,0]=3 93 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,1,0|2,0,0]=3 94 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,1,0|2,0,0]=3 95 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,1,0|2,0,0]=3 96 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,1,0|2,0,0]=3 97 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,1,0|2,0,0]=3 98 B5R0.5 CC(O)C(C)O HY-128387 [0,0,0,0,1,0|1,0,2]=4 99 B5R0.5 CC(O)C(C)O HY-128387R [0,0,0,0,1,0|1,0,2]=4 100 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,0,0,0,1,0|1,0,2]=4 101 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,1,0|2,0,0]=3 102 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,1,0|2,0,0]=3 103 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,1,0|2,0,0]=3 104 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,0,0,0,1,0|3,0,0]=4 105 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,0,0,0,1,0|3,0,0]=4 106 B5R0.5 O=C(O)C(O)O HY-W019724 [0,0,0,0,1,0|3,0,0]=4 107 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,1,0|2,0,0]=3 108 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,1|2,0,1]=4 109 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,1|2,0,1]=4 110 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,1|2,0,1]=4 111 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,1|1,0,0]=2 112 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,1|1,0,0]=2 113 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 143 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|1,0,0]=3 144 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,1,0,0,0,0|0,0,2]=4 150 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,1]=4 156 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|2,0,0]=4 173 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|0,0,1]=3 193 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,0]=3 202 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [1,1,0,0,0,0|0,1,1]=4 203 B6R0.5 CC(C)(C)CCO HY-W012977 [1,1,0,0,0,0|0,0,2]=4 204 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,1,0,0,1,0|2,0,0]=4 207 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,1,0,0,1,0|2,0,0]=4 208 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,1,0,0,1,0|2,0,0]=4 209 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,1,0|1,0,0]=3 210 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,1,0|1,0,0]=3 211 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,1,0,0,1,0|2,0,0]=4 212 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,1|1,0,1]=4 213 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,1|1,0,0]=3 215 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,1|1,0,0]=3 216 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,1|1,0,0]=3 217 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,1|1,0,0]=3 218 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,1|1,0,0]=3 219 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,1|1,0,0]=3 220 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,1|1,0,0]=3 221 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,1|1,0,0]=3 222 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,1|1,0,0]=3 224 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,1|1,0,0]=3 225 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,2,0,0,0,0|1,0,1]=4 228 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|1,0,1]=4 230 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,2,0,0,0,0|1,0,0]=3 236 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,2,0,0,0,0|0,0,0]=2 237 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,2,0,0,0,0|0,0,0]=2 242 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.16 CN(C)CC(CN)CN HY-42303 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.24 CC(C)(C)OC(=O)NN HY-Y0373 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.24 C[N+](C)(C)CC(=O)NN HY-W074541 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.33 CC(C)(C)CC(C)(C)C HY-W134422 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,2,0,0,0,0|1,0,0]=3 265 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,2,0,0,0,0|1,0,0]=3 266 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,2,0,0,0,0|1,0,0]=3 268 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,1,0]=4 271 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 272 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 275 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.3 COC[C@H]1CO1 HY-Z1630 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.10 CC1(O)CNC1 HY-59333 [1,0,0,1,0,0|2,0,0]=4 278 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,0,0,1,0,1|1,0,1]=4 281 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,1|1,0,1]=4 282 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,1|0,0,1]=3 283 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|2,0,0]=4 288 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,2|0,0,1]=3 289 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,0,0,0,2|1,0,1]=4 290 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,0,0,0,2|1,0,1]=4